ethyl N-benzyl-N-(2-methylpropyl)carbamate

C14H21NO2 — CID 11770433

IUPACethyl N-benzyl-N-(2-methylpropyl)carbamate
SMILESCCOC(=O)N(Cc1ccccc1)CC(C)C
InChIInChI=1S/C14H21NO2/c1-4-17-14(16)15(10-12(2)3)11-13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3
InChIKeyUYQUCEFWTZQZLT-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.30
Rot. Bonds5

About ethyl N-benzyl-N-(2-methylpropyl)carbamate

ethyl N-benzyl-N-(2-methylpropyl)carbamate (PubChem CID 11770433) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is ethyl N-benzyl-N-(2-methylpropyl)carbamate.

Molecular Properties

Compound Nameethyl N-benzyl-N-(2-methylpropyl)carbamate
PubChem CID11770433
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Nameethyl N-benzyl-N-(2-methylpropyl)carbamate
SMILESCCOC(=O)N(Cc1ccccc1)CC(C)C
InChIInChI=1S/C14H21NO2/c1-4-17-14(16)15(10-12(2)3)11-13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3
InChIKeyUYQUCEFWTZQZLT-UHFFFAOYSA-N
XLogP3.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl N-benzyl-N-(2-methylpropyl)carbamate?
The IUPAC name of ethyl N-benzyl-N-(2-methylpropyl)carbamate (CID 11770433) is ethyl N-benzyl-N-(2-methylpropyl)carbamate.
What is the SMILES notation for ethyl N-benzyl-N-(2-methylpropyl)carbamate?
The canonical SMILES for ethyl N-benzyl-N-(2-methylpropyl)carbamate is CCOC(=O)N(Cc1ccccc1)CC(C)C.
What is the InChIKey of ethyl N-benzyl-N-(2-methylpropyl)carbamate?
The InChIKey is UYQUCEFWTZQZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-17-14(16)15(10-12(2)3)11-13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3.
What are the key properties of ethyl N-benzyl-N-(2-methylpropyl)carbamate?
ethyl N-benzyl-N-(2-methylpropyl)carbamate has a molecular weight of 235.33 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-benzyl-N-(2-methylpropyl)carbamate is sourced from PubChem (CID 11770433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).